N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C29H27N3O4 — CID 154833831

About N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 154833831) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 154833831
• Molecular Formula: C29H27N3O4
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.20
• IUPAC Name: N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1cccc(C(=O)N2CCC(C3C(=O)Nc4ccccc43)CC2)c1)C1Cc2ccccc2O1
• InChI: InChI=1S/C29H27N3O4/c33-27(25-17-19-6-1-4-11-24(19)36-25)30-21-8-5-7-20(16-21)29(35)32-14-12-18(13-15-32)26-22-9-2-3-10-23(22)31-28(26)34/h1-11,16,18,25-26H,12-15,17H2,(H,30,33)(H,31,34)
• InChIKey: WHAHIKDGESGCIB-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 154833831) is N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCC(C3C(=O)Nc4ccccc43)CC2)c1)C1Cc2ccccc2O1.

What is the InChIKey of N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is WHAHIKDGESGCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c33-27(25-17-19-6-1-4-11-24(19)36-25)30-21-8-5-7-20(16-21)29(35)32-14-12-18(13-15-32)26-22-9-2-3-10-23(22)31-28(26)34/h1-11,16,18,25-26H,12-15,17H2,(H,30,33)(H,31,34).

What are the key properties of N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154833831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).